[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C19H19ClN2O5 — CID 8524255

IUPAC[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O5/c1-26-16-5-3-2-4-13(16)8-11-18(24)27-12-17(23)21-22-19(25)14-6-9-15(20)10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,21,23)(H,22,25)
InChIKeyKAVJGLXKEPLAMQ-UHFFFAOYSA-N
MW390.82 g/mol
LogP2.29
Rot. Bonds7

About [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 8524255) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID8524255
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O5/c1-26-16-5-3-2-4-13(16)8-11-18(24)27-12-17(23)21-22-19(25)14-6-9-15(20)10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,21,23)(H,22,25)
InChIKeyKAVJGLXKEPLAMQ-UHFFFAOYSA-N
XLogP2.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879185
[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871123
methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871005
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871120
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
CID 7782405
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523165
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322
3,4,5-triethoxy-N'-[3-(2-methoxyphenyl)propanoyl]benzohydrazide
CID 26798030
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991562
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 7958312

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 8524255) is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is KAVJGLXKEPLAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-26-16-5-3-2-4-13(16)8-11-18(24)27-12-17(23)21-22-19(25)14-6-9-15(20)10-7-14/h2-7,9-10H,8,11-12H2,1H3,(H,21,23)(H,22,25).
What are the key properties of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 390.82 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 8524255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).